N-(1-chloro-4-methylpentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C12H19ClN2O2 — CID 114300930

IUPACN-(1-chloro-4-methylpentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC(CCl)CC(C)C)o1
InChIInChI=1S/C12H19ClN2O2/c1-7(2)5-10(6-13)15-12(16)11-8(3)14-9(4)17-11/h7,10H,5-6H2,1-4H3,(H,15,16)
InChIKeySEYIKBAMZBPXSQ-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.67
Rot. Bonds5

About N-(1-chloro-4-methylpentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(1-chloro-4-methylpentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 114300930) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID114300930
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC(CCl)CC(C)C)o1
InChIInChI=1S/C12H19ClN2O2/c1-7(2)5-10(6-13)15-12(16)11-8(3)14-9(4)17-11/h7,10H,5-6H2,1-4H3,(H,15,16)
InChIKeySEYIKBAMZBPXSQ-UHFFFAOYSA-N
XLogP2.67
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114299594
N-(5-chloropentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114305863
N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114296555
N-(1-chloro-4-methylpentan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 114300759
(2S)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 81362291
N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 106168237
N-(2-methoxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684796
N-(1-chloro-4-methylpentan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114301001
N-(2-cyanopropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026402
(2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]hexanedioic acid
CID 107831662
(2S)-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833856
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120651676

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 114300930) is N-(1-chloro-4-methylpentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NC(CCl)CC(C)C)o1.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is SEYIKBAMZBPXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-7(2)5-10(6-13)15-12(16)11-8(3)14-9(4)17-11/h7,10H,5-6H2,1-4H3,(H,15,16).
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(1-chloro-4-methylpentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 258.75 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 114300930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).